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Home > Nitro Compounds > 88238-98-6
88238-98-6 | 2,6-Dodecanedione, 5-[(acetyloxy)methyl]-5-nitro-
CAS No: 88238-98-6 Catalog No: AG004CUW MDL No:
Product Description
Catalog Number:
AG004CUW
Chemical Name:
2,6-Dodecanedione, 5-[(acetyloxy)methyl]-5-nitro-
CAS Number:
88238-98-6
Molecular Formula:
C15H25NO6
Molecular Weight:
315.3621
IUPAC Name:
[2-nitro-3-oxo-2-(3-oxobutyl)nonyl] acetate
InChI:
InChI=1S/C15H25NO6/c1-4-5-6-7-8-14(19)15(16(20)21,10-9-12(2)17)11-22-13(3)18/h4-11H2,1-3H3
InChI Key:
DQKNHNLWGGKOSH-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)C([N+](=O)[O-])(COC(=O)C)CCC(=O)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.168g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.366g/mol
Monoisotopic Mass:
315.168g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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